6-(2-chlorophenyl)-7-methyl-N-[(E)-thiophen-2-ylmethylideneamino]thieno[3,2-d]pyrimidin-4-amine

C18H13ClN4S2 — CID 10178109

IUPAC6-(2-chlorophenyl)-7-methyl-N-[(E)-thiophen-2-ylmethylideneamino]thieno[3,2-d]pyrimidin-4-amine
SMILESCc1c(-c2ccccc2Cl)sc2c(N/N=C/c3cccs3)ncnc12
InChIInChI=1S/C18H13ClN4S2/c1-11-15-17(25-16(11)13-6-2-3-7-14(13)19)18(21-10-20-15)23-22-9-12-5-4-8-24-12/h2-10H,1H3,(H,20,21,23)/b22-9+
InChIKeyKPCRMGYQUWUUHI-LSFURLLWSA-N
MW384.92 g/mol
LogP5.83
Rot. Bonds4

About 6-(2-chlorophenyl)-7-methyl-N-[(E)-thiophen-2-ylmethylideneamino]thieno[3,2-d]pyrimidin-4-amine

6-(2-chlorophenyl)-7-methyl-N-[(E)-thiophen-2-ylmethylideneamino]thieno[3,2-d]pyrimidin-4-amine (PubChem CID 10178109) has the molecular formula C18H13ClN4S2 and a molecular weight of 384.92 g/mol. Its IUPAC name is 6-(2-chlorophenyl)-7-methyl-N-[(E)-thiophen-2-ylmethylideneamino]thieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-chlorophenyl)-7-methyl-N-[(E)-thiophen-2-ylmethylideneamino]thieno[3,2-d]pyrimidin-4-amine
PubChem CID10178109
Molecular FormulaC18H13ClN4S2
Molecular Weight384.92 g/mol
Exact Mass384.03
IUPAC Name6-(2-chlorophenyl)-7-methyl-N-[(E)-thiophen-2-ylmethylideneamino]thieno[3,2-d]pyrimidin-4-amine
SMILESCc1c(-c2ccccc2Cl)sc2c(N/N=C/c3cccs3)ncnc12
InChIInChI=1S/C18H13ClN4S2/c1-11-15-17(25-16(11)13-6-2-3-7-14(13)19)18(21-10-20-15)23-22-9-12-5-4-8-24-12/h2-10H,1H3,(H,20,21,23)/b22-9+
InChIKeyKPCRMGYQUWUUHI-LSFURLLWSA-N
XLogP5.83
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.92
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(2-chlorophenyl)-7-methyl-N-[(E)-thiophen-2-ylmethylideneamino]thieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of 6-(2-chlorophenyl)-7-methyl-N-[(E)-thiophen-2-ylmethylideneamino]thieno[3,2-d]pyrimidin-4-amine (CID 10178109) is 6-(2-chlorophenyl)-7-methyl-N-[(E)-thiophen-2-ylmethylideneamino]thieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 6-(2-chlorophenyl)-7-methyl-N-[(E)-thiophen-2-ylmethylideneamino]thieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 6-(2-chlorophenyl)-7-methyl-N-[(E)-thiophen-2-ylmethylideneamino]thieno[3,2-d]pyrimidin-4-amine is Cc1c(-c2ccccc2Cl)sc2c(N/N=C/c3cccs3)ncnc12.
What is the InChIKey of 6-(2-chlorophenyl)-7-methyl-N-[(E)-thiophen-2-ylmethylideneamino]thieno[3,2-d]pyrimidin-4-amine?
The InChIKey is KPCRMGYQUWUUHI-LSFURLLWSA-N. The full InChI is InChI=1S/C18H13ClN4S2/c1-11-15-17(25-16(11)13-6-2-3-7-14(13)19)18(21-10-20-15)23-22-9-12-5-4-8-24-12/h2-10H,1H3,(H,20,21,23)/b22-9+.
What are the key properties of 6-(2-chlorophenyl)-7-methyl-N-[(E)-thiophen-2-ylmethylideneamino]thieno[3,2-d]pyrimidin-4-amine?
6-(2-chlorophenyl)-7-methyl-N-[(E)-thiophen-2-ylmethylideneamino]thieno[3,2-d]pyrimidin-4-amine has a molecular weight of 384.92 g/mol, XLogP of 5.83, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chlorophenyl)-7-methyl-N-[(E)-thiophen-2-ylmethylideneamino]thieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 10178109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).